Table 2. Secondary structures (%) of TmAFP.
Secondary structure (%) | |||
---|---|---|---|
CHARMM | AMBER | OPLS | |
β-sheet | 9.9 ± 0.8 | 6.9 ± 0.5 | 2.2 ± 0.7 |
β-bridge | 4.4 ± 0.5 | 5.6 ± 0.3 | 2.4 ± 0.8 |
α-helix | 0.0 ± 0.0 | 0.1 ± 0.1 | 0.1 ± 0.1 |
Turn | 13.5 ± 1.3 | 12.8 ± 0.8 | 14.7 ± 1.7 |
Bend | 31.6 ± 1.4 | 33.3 ± 0.8 | 34.2 ± 1.3 |
Coil | 40.5 ± 0.6 | 41.2 ± 0.8 | 46.5 ± 1.1 |